SCHEMBL6291665

SCHEMBL6291665

O=C([O-])c1c2nc(c(-c3ccccc3)c3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2.[Na+]

nearest known ligand 0.62

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.62
▸ STAT1 P42224 1/20 0.62
▸ TOP1 P11387 4/20 0.44
▸ CYCS P99999 4/20 0.43
▸ ENPP2 Q13822 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ TERT O14746 5/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL455573 0.90 STAT3 (0.67) STAT3STAT1TOP1CYCSENPP2
SCHEMBL8977875 0.86 STAT3 (0.69) STAT3STAT1TOP1CYCSENPP2
SCHEMBL29585686 0.86 STAT3 (0.83) STAT3STAT1TOP1CYCSENPP2
SCHEMBL226835 0.86 STAT3 (0.83) STAT3STAT1TOP1CYCSENPP2
SCHEMBL1224432 0.82 STAT3 (0.86) STAT3STAT1TOP1CYCSENPP2
SCHEMBL31550992 0.82 STAT3 (0.86) STAT3STAT1TOP1CYCSENPP2
SCHEMBL30293296 0.82 STAT3 (0.86) STAT3STAT1TOP1CYCSENPP2
SCHEMBL30753635 0.82 STAT3 (0.86) STAT3STAT1TOP1CYCSENPP2
SCHEMBL473158 0.82 STAT3 (0.86) STAT3STAT1TOP1CYCSENPP2
SCHEMBL2563180 0.82 STAT3 (0.91) STAT3STAT1TOP1CYCSENPP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960644-B2 Water-soluble block copolymer and production method therefor KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2005-11-01 — — US disclosed
EP-1400555-A1 Water-soluble block copolymer and production method therefor KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2004-03-24 — — EP disclosed
US-20040054127-A1 Water-soluble block copolymer and production method therefor KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2004-03-18 — — US disclosed
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